GPCRdb

roxindole

Agent/drug
Bioactivity

roxindole

SMILES	Oc1ccc2[nH]cc(CCCCN3CC=C(c4ccccc4)CC3)c2c1
InChIKey	HGEYJZMMUGWEOT-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	2
Hydrogen bond donors	2
Rotatable bonds	6
Molecular weight (Da)	346.2

Database connections

PubChem Guide To Pharmacology ChEMBL_compound_ids GPCRdb

Bioactivities

Affinity
Potency

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

α_1A	ADA1A	Human	Adrenoceptors	A	pKi	8.60	8.60	8.60	Guide to Pharmacology
α_1B	ADA1B	Human	Adrenoceptors	A	pKi	8.55	8.55	8.55	PDSP Ki database
α_1D	ADA1D	Human	Adrenoceptors	A	pKi	8.59	8.73	8.87	PDSP Ki database
α_2A	ADA2A	Human	Adrenoceptors	A	pKi	8.21	8.21	8.21	PDSP Ki database
α_2B	ADA2B	Human	Adrenoceptors	A	pKi	8.30	8.30	8.30	Guide to Pharmacology
α_2B	ADA2B	Human	Adrenoceptors	A	pKi	8.34	8.34	8.34	PDSP Ki database
α_2C	ADA2C	Human	Adrenoceptors	A	pKi	8.80	8.80	8.80	Guide to Pharmacology
α_2C	ADA2C	Human	Adrenoceptors	A	pKi	8.75	8.75	8.75	PDSP Ki database
β₁	ADRB1	Human	Adrenoceptors	A	pKi	5.57	5.57	5.57	PDSP Ki database
β₂	ADRB2	Human	Adrenoceptors	A	pKi	6.03	6.03	6.03	PDSP Ki database
5-HT_1A	5HT1A	Human	5-Hydroxytryptamine	A	pKi	9.40	9.65	9.90	Guide to Pharmacology
5-HT_1A	5HT1A	Human	5-Hydroxytryptamine	A	pKi	9.94	9.94	9.94	PDSP Ki database
5-HT_1B	5HT1B	Human	5-Hydroxytryptamine	A	pKi	5.80	5.90	6.00	Guide to Pharmacology
5-HT_1D	5HT1D	Human	5-Hydroxytryptamine	A	pKi	7.20	7.20	7.20	PDSP Ki database
5-HT_1D	5HT1D	Human	5-Hydroxytryptamine	A	pKi	7.00	7.10	7.20	Guide to Pharmacology
5-HT_2A	5HT2A	Human	5-Hydroxytryptamine	A	pKi	8.20	8.20	8.20	Guide to Pharmacology
5-HT_2A	5HT2A	Human	5-Hydroxytryptamine	A	pKi	8.18	8.18	8.18	PDSP Ki database
5-HT_2B	5HT2B	Human	5-Hydroxytryptamine	A	pKi	7.50	7.50	7.50	Guide to Pharmacology
5-HT_2B	5HT2B	Human	5-Hydroxytryptamine	A	pKi	7.51	7.51	7.51	PDSP Ki database
5-HT_2C	5HT2C	Human	5-Hydroxytryptamine	A	pKi	6.50	6.50	6.50	Guide to Pharmacology

Showing 1 to 20 of 33 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

5-HT_1A	5HT1A	Human	5-Hydroxytryptamine	A	pIC50	9.10	9.10	9.10	ChEMBL
5-HT_1A	5HT1A	Rat	5-Hydroxytryptamine	A	pIC50	9.10	9.10	9.10	ChEMBL
D₂	DRD2	Rat	Dopamine	A	pIC50	8.22	8.23	8.25	ChEMBL
D₂	DRD2	Human	Dopamine	A	pEC50	9.43	9.43	9.43	ChEMBL
TSH	TSHR	Human	Glycoprotein hormone	A	Potency	4.40	4.40	4.40	ChEMBL

Showing 1 to 5 of 5 entries

roxindole

Drug properties

Molecular type	Small molecule
Physiological/Surrogate	Surrogate
Approved drug	No

Distribution across phases (no. indications)

Phase I 0

Phase II 0

Phase III 0

Phase IV

Database connections

PubChem Guide To Pharmacology ChEMBL_compound_ids GPCRdb

Compound is not listed as a drug.